(4S)-N-(2-bromophenyl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-thiazol-2-amine

C12H15BrN2S2 — CID 135044591

IUPAC(4S)-N-(2-bromophenyl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCSCC[C@H]1CSC(Nc2ccccc2Br)=N1
InChIInChI=1S/C12H15BrN2S2/c1-16-7-6-9-8-17-12(14-9)15-11-5-3-2-4-10(11)13/h2-5,9H,6-8H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyXEEDFYLSWOFSRS-VIFPVBQESA-N
MW331.30 g/mol
LogP4.09
Rot. Bonds4

About (4S)-N-(2-bromophenyl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-thiazol-2-amine

(4S)-N-(2-bromophenyl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 135044591) has the molecular formula C12H15BrN2S2 and a molecular weight of 331.30 g/mol. Its IUPAC name is (4S)-N-(2-bromophenyl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S)-N-(2-bromophenyl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID135044591
Molecular FormulaC12H15BrN2S2
Molecular Weight331.30 g/mol
Exact Mass329.99
IUPAC Name(4S)-N-(2-bromophenyl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCSCC[C@H]1CSC(Nc2ccccc2Br)=N1
InChIInChI=1S/C12H15BrN2S2/c1-16-7-6-9-8-17-12(14-9)15-11-5-3-2-4-10(11)13/h2-5,9H,6-8H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyXEEDFYLSWOFSRS-VIFPVBQESA-N
XLogP4.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-2-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114211112
N-(3-bromo-2-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107637513
N-(2-bromo-4-chlorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 81274735
N-(3-bromo-2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107637509
N-(2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61247555
4-benzyl-N-(2,4-dimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261345
N-(2-bromo-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440061
N-(2-bromo-4-chlorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 81274901
4-ethyl-N-(2-methyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 79044170
N-(3-bromo-2-methylphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363835
N-(4-bromo-2-ethylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 81289937
4-ethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43382066

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2-bromophenyl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S)-N-(2-bromophenyl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 135044591) is (4S)-N-(2-bromophenyl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S)-N-(2-bromophenyl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S)-N-(2-bromophenyl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-thiazol-2-amine is CSCC[C@H]1CSC(Nc2ccccc2Br)=N1.
What is the InChIKey of (4S)-N-(2-bromophenyl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XEEDFYLSWOFSRS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15BrN2S2/c1-16-7-6-9-8-17-12(14-9)15-11-5-3-2-4-10(11)13/h2-5,9H,6-8H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (4S)-N-(2-bromophenyl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
(4S)-N-(2-bromophenyl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 331.30 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2-bromophenyl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 135044591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).